Aderbasib
기본 정보
- CAS
791828-58-5- 표준 SMILES
COC(=O)N1CC2(CC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ccccc2)CC1- InChIKey
DJXMSZSZEIKLQZ-IRXDYDNUSA-N- 분자식
- C21H28N4O5
- 평균 분자량
- 416.5 g/mol
- 단동위원소 질량
- 416.20597001
개요
INCB7839 is a novel, orally available ADAM metalloprotease inhibitor that is designed to block activation of the epidermal growth factor (EGFR) pathways. It represents a potentially important new class of targeted breast cancer therapy. It has shown promising clinical activity in heavily pretreated, refractory breast cancer patients.
이름 및 식별자
- 우선 이름
- Aderbasib
- IUPAC
- methyl (6S,7S)-7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
- 영어명
- aderbasib
- 분자식
- C21H28N4O5
- 분자량
- 416.47
이름 및 동의어
Aderbasib791828-58-5INCB7839Aderbasib [USAN:INN]V9YL6NEJ3GAderbasib [USAN]INCB 007839INCB-007839INCB007839ADERBASIB [INN]ADERBASIB [WHO-DD]DTXSID701000327
이름 더 보기
Unii-V9yl6nej3gAderbasib (Synonyms: INCB007839(6S,7S)-Methyl 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-(6S,7S)-Methyl 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carMethyl (6S,7S)-7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate5-Azaspiro2.5octane-5-carboxylicacid, 7-(hydroxyaMino)carbonyl-6-(4-phenyl-1-piperazinyl)carbonyl-, Methylester, (6S,7S)-
5-Azaspiro(2.5)octane-5-carboxylic acid, 7-((hydroxyamino)carbonyl)-6-((4-phenyl-1-piperazinyl)carbonyl)-, methyl ester, (6S,7S)-Methyl (6S,7S)-7-((hydroxyamino)carbonyl)-6-((4-phenylpiperazin-1-yl)carbonyl)-5-azaspiro(2.5)octane-5-carboxylateaderbasibummethyl (6s,7s)-7-[(hydroxyamino)carbonyl]-6-[(4-phenylpiperazin-1-yl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylateRefChem:553036DTXCID401427291Methyl (6S,7S)-7-(Hhydroxyamino)carbonyl)-6-((4-phenylpiperazin-1-yl)carbonyl)-5-azaspiro(2.5)octane-5-carboxylate(6S,7S)-Methyl 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
데이터베이스 식별자
- CAS
791828-58-5- PubChem CID
- 16070111
- DTXSID
DTXSID701000327- ChEMBL
CHEMBL2103790- UNII
- V9YL6NEJ3G
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 668
물리화학적 성질
- 밀도
- 1.38 · 1.38
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 100 mg/mL · DMSO : 100 mg/mL (240.11 mM; Need ultrasonic)
- 산도 계수 (pKa)
- 9.33 · 9.33±0.23(Predicted)
- 물리적 상태
- Solid
- 색상
- White to light yellow
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
화학 및 산업
약리 정보
Mechanism of Action
INCB7839 is a novel, orally available ADAM metalloprotease inhibitor that is designed to block activation of the epidermal growth factor (EGFR) pathways. Currently approved therapies that target the EGFR pathways have shown promising efficacy in metastatic disease, validating these pathways as targets; however, efficacy may be limited due to the fact that these drugs inhibit only one or two of the four HER receptor pathways. In contrast, the sheddase inhibitor, INCB7839, has the potential to inhibit activation through all four of the HER receptors, resulting in more complete inhibition of these pathways.
응용 분야
용도Aderbasib is a azaspiro[2.5]octanehydroxamide derivative as inhibitor of metalloproteases for the treatment of disorders such as cancer, arthritis, cardiovascular or skin disorders.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…